| SpectraBase Compound ID | IHvqMmqHSVq |
|---|---|
| InChI | InChI=1S/C17H29NO11/c1-3-17(2,6-18)29-16-14(25)12(23)10(21)8(28-16)5-26-15-13(24)11(22)9(20)7(4-19)27-15/h7-16,19-25H,3-5H2,1-2H3/t7-,8+,9-,10+,11+,12-,13-,14+,15-,16-,17-/m1/s1 |
| InChIKey | WOSYVGNDRYBQCQ-PBCMCOCISA-N |
| Mol Weight | 423.42 g/mol |
| Molecular Formula | C17H29NO11 |
| Exact Mass | 423.174061 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9yg6zXBBngM |
|---|---|
| Name | NEOLINUSTATIN |
| CAS Registry Number | 72229-42-6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C17H29NO11 |
| InChI | InChI=1S/C17H29NO11/c1-3-17(2,6-18)29-16-14(25)12(23)10(21)8(28-16)5-26-15-13(24)11(22)9(20)7(4-19)27-15/h7-16,19-25H,3-5H2,1-2H3/t7-,8+,9-,10+,11+,12-,13-,14+,15-,16-,17-/m1/s1 |
| InChIKey | WOSYVGNDRYBQCQ-PBCMCOCISA-N |
| Literature Reference Author | C.R.SMITH-JR.,D.WEISLEDER,R.W.MILLER,I.S.PALMER,O.E.OLSON |
| Literature Reference Citation | J.ORG.CHEM.,45,507(1980) |
| Literature Reference DOI | 10.1021/jo01291a027 |
| Molecular Weight | 423.417 g/mol |
| Solvent | D2O |
| Source File Reference | UNIW18505 |